SCHEMBL3458193

SCHEMBL3458193

O=c1oc(OCc2ccccc2)nn1-c1ccc(Cl)nn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
LIPC P11150 1/20 0.50
ACHE P22303 1/20 0.50
LIPE Q05469 1/20 0.50
MGLL Q99685 5/20 0.44
FAAH O00519 4/20 0.44
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.40
PKM P14618 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3458662 0.80 BCHE (0.54) BCHELIPCACHELIPEMGLL
SCHEMBL3459146 0.75 KMT2A (0.49) BCHELIPCACHELIPEMGLL
SCHEMBL3459053 0.73 BCHE (0.50) BCHELIPCACHELIPEMGLL
SCHEMBL2853749 0.71 BCHE (0.68) BCHELIPCACHELIPEMGLL
SCHEMBL3458691 0.69 BCHE (0.48) BCHELIPCACHELIPEMGLL
SCHEMBL7044271 0.69 BCHE (0.56) BCHELIPCACHELIPEMGLL
SCHEMBL31219824 0.66 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1PKM
SCHEMBL518381 0.66 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1PKM
SCHEMBL7044238 0.65 BCHE (0.81) BCHELIPCACHELIPEMGLL
SCHEMBL2701849 0.65 BCHE (0.62) BCHELIPCACHELIPEMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO claimed
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO disclosed